SCHEMBL8208772

SCHEMBL8208772

COc1ccc(CCN(C)C2CCCC(C(C(N)=O)(c3ccccc3)c3ccccc3)C2)cc1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CHRM3 P20309 8/20 0.45
CACNA1C Q13936 1/20 0.44
CHRM1 P11229 5/20 0.44
CHRM5 P08912 4/20 0.44
ALOX5 P09917 2/20 0.43
CHRM2 P08172 3/20 0.41
CHRM4 P08173 1/20 0.41
TRPM8 Q7Z2W7 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.40
POLB P06746 1/20 0.40
OPRM1 P35372 2/20 0.39
AOC3 Q16853 1/20 0.39
C5AR1 P21730 1/20 0.39
KCNH2 Q12809 1/20 0.38

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL8205282 0.95 CHRM3 (0.45) CHRM3CACNA1CCHRM1CHRM5ALOX5
SCHEMBL8206274 0.92 SLC18A3 (0.43) CACNA1CL3MBTL1POLB
SCHEMBL8209743 0.92 SLC18A3 (0.43) CACNA1CL3MBTL1POLB
SCHEMBL8205248 0.91 SLC18A3 (0.45) CACNA1CL3MBTL1POLBOPRM1
SCHEMBL8206587 0.86 SLC18A3 (0.47) CHRM3ALOX5OPRM1
SCHEMBL8199247 0.86 AGTR2 (0.42) CHRM3CHRM1CHRM5CHRM2CHRM4
SCHEMBL8199191 0.85 CHRM2 (0.38) CHRM3CACNA1CCHRM1CHRM5CHRM2
SCHEMBL8209731 0.85 HRH1 (0.39) CHRM3CHRM1CHRM5CHRM2CHRM4
SCHEMBL8205356 0.84 CHIT1 (0.41) CHRM3CACNA1CCHRM1CHRM5CHRM2
SCHEMBL8199092 0.84 KMT2A (0.40) CHRM3CHRM1CHRM5CHRM2CHRM4

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0999205-A1 AMINOCYCLOALKANE COMPOUNDS Mitsubishi-Tokyo Pharmaceuticals, Inc. (JP) 2000-05-10 EP disclosed